Model name: model_name=EAM_Dynamo_Olsson_2010_Au__MO_228280943430_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Au Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.080000007152559 cohesive_energy=3.810299743942474 mass=196.9665 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.188808653721464e-19, 1.75191606221364e-19, 2.24009928259344e-19, 2.68358177488464e-19, 3.08729824311996e-19, 3.4537000175494195e-19, 3.78520638489036e-19, 4.084573088953259e-19, 4.3552768530339e-19, 4.60077837866172e-19, 4.8235930831521e-19, 5.02553142610146e-19, 5.20785912705066e-19, 5.371489426681079e-19, 5.51714330447802e-19, 5.64539754402972e-19, 5.75681290715808e-19, 5.851854025086959e-19, 5.93096950727388e-19, 5.9946239849427e-19, 6.043298111083619e-19, 6.077488560453179e-19, 6.097659964275239e-19, 6.10429297554e-19, 6.097083180686999e-19, 6.073531184167199e-19, 6.030272415049199e-19, 5.963221322916299e-19, 5.867250942539699e-19, 5.736080741514119e-19, 5.56190811963198e-19, 5.33502388649124e-19, 5.0432675214398395e-19, 4.671482433520139e-19, 4.2007469166846e-19, 3.60726864791832e-19, 2.860686380007e-19, 1.9218429160156797e-19, 7.39681693148682e-20, -7.53373894662846e-20, -2.647596887685e-19, -5.065105188961259e-19, -8.173840555444139e-19, -1.220873014697706e-18, -1.75055421207474e-18] Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 1e-07 eV ======================================== theta = 0.0 ======================================== Energy: 0.014128696923924985 Energy: 0.01598509358653593 Energy: 0.23591310734943607 Energy: 0.6053398336707719 Energy: 0.6065065968971216 Energy: 0.2030152443421292 Energy: 0.01461884232361482 Energy: 0.01460312968524637 Energy: 0.01460312968524637 Energy: 0.16429664662007362 Energy: 0.16429664662007362 Energy: 0.16429664662007362 Energy: 0.015089859940606836 Energy: 0.015089859940606836 Energy: 0.014413074010392603 Energy: 0.014413074010392603 Energy: 0.014413074010392603 Energy: 0.014413074010392603 Energy: 0.014413074010392603 Energy: 0.014413074010392603 Energy: 0.014413074010392603 Energy: 0.015845722353557214 Energy: 0.015845722353557214 Energy: 0.23658595328475962 Energy: 0.6059691038154165 Energy: 0.6070458878130298 Energy: 0.06177373158442211 Energy: 0.014772723166218697 Energy: 0.014772723166218697 Energy: 0.014772723166218697 Energy: 0.1641770846297287 Energy: 0.1641770846297287 Energy: 0.1641770846297287 Energy: 0.014728961212689283 Energy: 0.062108147651925745 Energy: 0.014421199337897867 Energy: 0.014421199337897867 Energy: 0.014421199337897867 Energy: 0.014421199337897867 Energy: 0.014421199337897867 Energy: 0.014421199337897867 Energy: 0.014421199337897867 minimum gb energy = 0.014128696923924985 eV minimum distance = 2.88072977452007 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ========================================